1-fluoro-3-methylidenecyclohexane

C7H11F — CID 77494831

IUPAC1-fluoro-3-methylidenecyclohexane
SMILESC=C1CCCC(F)C1
InChIInChI=1S/C7H11F/c1-6-3-2-4-7(8)5-6/h7H,1-5H2
InChIKeyHPMKEDCOVPKDRG-UHFFFAOYSA-N
MW114.16 g/mol
LogP2.45
Rot. Bonds

About 1-fluoro-3-methylidenecyclohexane

1-fluoro-3-methylidenecyclohexane (PubChem CID 77494831) has the molecular formula C7H11F and a molecular weight of 114.16 g/mol. Its IUPAC name is 1-fluoro-3-methylidenecyclohexane.

Molecular Properties

Compound Name1-fluoro-3-methylidenecyclohexane
PubChem CID77494831
Molecular FormulaC7H11F
Molecular Weight114.16 g/mol
Exact Mass114.08
IUPAC Name1-fluoro-3-methylidenecyclohexane
SMILESC=C1CCCC(F)C1
InChIInChI=1S/C7H11F/c1-6-3-2-4-7(8)5-6/h7H,1-5H2
InChIKeyHPMKEDCOVPKDRG-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.16
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methylidenecyclohexane?
The IUPAC name of 1-fluoro-3-methylidenecyclohexane (CID 77494831) is 1-fluoro-3-methylidenecyclohexane.
What is the SMILES notation for 1-fluoro-3-methylidenecyclohexane?
The canonical SMILES for 1-fluoro-3-methylidenecyclohexane is C=C1CCCC(F)C1.
What is the InChIKey of 1-fluoro-3-methylidenecyclohexane?
The InChIKey is HPMKEDCOVPKDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F/c1-6-3-2-4-7(8)5-6/h7H,1-5H2.
What are the key properties of 1-fluoro-3-methylidenecyclohexane?
1-fluoro-3-methylidenecyclohexane has a molecular weight of 114.16 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methylidenecyclohexane is sourced from PubChem (CID 77494831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).